SCHEMBL564460

SCHEMBL564460

CCCC(=NNc1ccc(Oc2ccc(COC)nc2)cc1OC1CCOCC1)C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 9/20 0.40
PDE4A P27815 7/20 0.40
PDE4B Q07343 7/20 0.40
PDE4C Q08493 7/20 0.40
ATM Q13315 4/20 0.34
KCNH2 Q12809 2/20 0.34
PIK3CA P42336 1/20 0.34
MTOR P42345 1/20 0.34
PRKDC P78527 1/20 0.34
KDR P35968 1/20 0.34
HRH3 Q9Y5N1 1/20 0.34
MAPK1 P28482 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
KAT2B Q92831 1/20 0.34
MKNK1 Q9BUB5 1/20 0.34
MKNK2 Q9HBH9 1/20 0.34
BTK Q06187 1/20 0.33
AOC3 Q16853 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL564373 0.93 PDE4D (0.38) PDE4DPDE4APDE4BPDE4CATM
SCHEMBL564387 0.90 PDE4D (0.36) PDE4DPDE4APDE4BPDE4CPIK3CA
SCHEMBL15309099 0.89 HRH3 (0.36) PDE4DPDE4APDE4BPDE4CATM
SCHEMBL15309098 0.89 HRH3 (0.36) PDE4DPDE4APDE4BPDE4CATM
SCHEMBL564417 0.84 MEN1 (0.35) PDE4DPDE4APDE4BPDE4CATM
SCHEMBL15309160 0.82 MKNK1 (0.36) PDE4DPDE4APDE4BPDE4CATM
SCHEMBL15309159 0.82 MKNK1 (0.36) PDE4DPDE4APDE4BPDE4CATM
SCHEMBL564742 0.80 GCK (0.38) PDE4DPDE4APDE4BPDE4CKAT2B
SCHEMBL15309093 0.79 GCK (0.35) PIK3CAKDRHRH3KAT2BMKNK2
SCHEMBL15309094 0.79 GCK (0.35) PIK3CAKDRHRH3KAT2BMKNK2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120035163-A1 NOVEL FUSED RING COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED 2012-02-09 US disclosed
EP-2371826-A1 NOVEL FUSED RING COMPOUND AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2011-10-05 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20120035163-A1 NOVEL FUSED RING COMPOUND AND USE THEREOF GPR119, GCKR, SLC5A1 PDE4D 1302/4885PDE4A 955/4885PDE4B 673/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.